N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C19H21N5O2S — CID 3239121

IUPACN-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCN1C(=O)CSc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C19H21N5O2S/c1-22-15-12-14(5-6-16(15)27-13-18(22)25)21-19(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,26)
InChIKeyQKSJEFDBYRNZMX-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.50
Rot. Bonds2

About N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 3239121) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID3239121
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCN1C(=O)CSc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C19H21N5O2S/c1-22-15-12-14(5-6-16(15)27-13-18(22)25)21-19(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,26)
InChIKeyQKSJEFDBYRNZMX-UHFFFAOYSA-N
XLogP2.50
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 3239121) is N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is CN1C(=O)CSc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc21.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is QKSJEFDBYRNZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-22-15-12-14(5-6-16(15)27-13-18(22)25)21-19(26)24-10-8-23(9-11-24)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,26).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 3239121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).